N-(3-methyl-4-propan-2-yl-phenyl)-4-[2-(6-methylpyridin-3-yl)ethyl]isoquinolin-1-amine

Systemtic Name: N-(3-methyl-4-propan-2-yl-phenyl)-4-[2-(6-methylpyridin-3-yl)ethyl]isoquinolin-1-amine Openeye Name: N-(4-isopropyl-3-methyl-phenyl)-4-[2-(6-methyl-3-pyridyl)ethyl]isoquinolin-1-amine CAS Name: N-(3-methyl-4-propan-2-ylphenyl)-4-[2-(6-methyl-3-pyridinyl)ethyl]-1-isoquinolinamine IUPAC Name: N-(3-methyl-4-propan-2-ylphenyl)-4-[2-(6-methylpyridin-3-yl)ethyl]isoquinolin-1-amine Traditional Name: (4-isopropyl-3-methyl-phenyl)-[4-[2-(6-methyl-3-pyridyl)ethyl]-1-isoquinolyl]amine Formula: C27H29N3 MolecularWeight: 395.53926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)CCC2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=NC=C(C=C1)CCC2=CN=C(C3=CC=CC=C32)NC4=CC(=C(C=C4)C(C)C)C

InChI

InChI=1S/C27H29N3/c1-18(2)24-14-13-23(15-19(24)3)30-27-26-8-6-5-7-25(26)22(17-29-27)12-11-21-10-9-20(4)28-16-21/h5-10,13-18H,11-12H2,1-4H3,(H,29,30)